Molecule

ID:13182

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-14-16(13-21)15-8-4-5-9-17(15)20(14)12-18(22)19-10-6-2-3-7-11-19/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3
InChIKey
HKZSNPAFPAAQGM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)N1CCCCCC1
Isomeric Smiles
N1(CCCCCC1)C(=O)Cn1c(c(c2c1cccc2)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6210752
LogD (pH = 7.4)
2.6210752
Log P
2.6210752
Molar Refractivity
88.2181
Polarizability
34.416042
Polar Surface Area
42.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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